CID 20120480

4-[(ethoxycarbonyl)amino]butanoic acid

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

CCOC(=O)NCCCC(=O)O

InChI

InChI=1S/C7H13NO4/c1-2-12-7(11)8-5-3-4-6(9)10/h2-5H2,1H3,(H,8,11)(H,9,10)

InChIKey

OZJDUFODPCKINY-UHFFFAOYSA-N

Compound name

4-(ethoxycarbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.08446 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.09174	138.3
[M+Na]+	198.07368	145.3
[M+NH4]+	193.11828	143.5
[M+K]+	214.04762	142.4
[M-H]-	174.07718	135.4
[M+Na-2H]-	196.05913	139.3
[M]+	175.08391	137.8
[M]-	175.08501	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe